Geometry & MOs

Info

ID:	306963
PubChem CID:	125264455
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	398.195405
ΔH_f, kcal/mol:	-54.32
Dipole, Da:	1.19
IP(EA), eV:	-9.55(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E,5R)-1-[2-(dimethylamino)ethyl]-4-[[(3S)-3,5-dimethyl-3H-pyrazol-4-yl]-hydroxymethylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

C1C[C@H]2[C@H](CCN2C(=O)C3=NC=CC3)O[C@H]1COCC4=CC=CC=N4

DOS

IR

Vibrations